Acetylene, dibromo-
- Formula: C2Br2
- Molecular weight: 183.829
- IUPAC Standard InChI: InChI=1S/C2Br2/c3-1-2-4
- IUPAC Standard InChIKey: JNFBOWNNNAHVNZ-UHFFFAOYSA-N
- CAS Registry Number: 624-61-3
- Chemical structure:
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Gas phase ion energetics data
Go To: Top, Vibrational and/or electronic energy levels, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 9.67 ± 0.01 | PE | Klapstein, Maier, et al., 1983 | LBLHLM |
| 9.5 | PE | Maier and Thommen, 1982 | LBLHLM |
| 9.7 ± 0.1 | EI | Kloster-Jensen, Pascual, et al., 1970 | RDSH |
| 9.67 | PE | Heilbronner, Hornung, et al., 1970 | RDSH |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| CBr+ | 16.1 ± 0.1 | CBr | EI | Kloster-Jensen, Pascual, et al., 1970 | RDSH |
Vibrational and/or electronic energy levels
Go To: Top, Gas phase ion energetics data, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Takehiko Shimanouchi
Symmetry: Dxh Symmetry Number σ = 2
| Sym. | No | Approximate | Selected Freq. | Infrared | Raman | Comments | ||||
|---|---|---|---|---|---|---|---|---|---|---|
| Species | type of mode | Value | Rating | Value | Phase | Value | Phase | |||
| σg+ | 1 | CC str | 2185 | D | ia | 2185 VS p | solid solid | |||
| σg+ | 2 | CBr str | 267 | D | ia | 267 M p | solid solid | |||
| σu+ | 3 | CBr str | 832 | C | 832 VS | gas | ia | |||
| πg | 4 | CCBr deform | 311 | D | ia | 311 VS dp | solid solid | |||
| πu | 5 | CCBr deform | 137 | C | 137 S | gas | ia | |||
Source: Shimanouchi, 1972
Notes
| VS | Very strong |
| S | Strong |
| M | Medium |
| ia | Inactive |
| p | Polarized |
| dp | Depolarized |
| C | 3~6 cm-1 uncertainty |
| D | 6~15 cm-1 uncertainty |
References
Go To: Top, Gas phase ion energetics data, Vibrational and/or electronic energy levels, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Klapstein, Maier, et al., 1983
Klapstein, D.; Maier, J.P.; Zambach, W.,
Emission spectra of rotationally cooled dihaloacetylene cations in the gas phase: A2Π(Ω,g) → x2Π(Ω,u) band systems,
Chem. Phys., 1983, 77, 463. [all data]
Maier and Thommen, 1982
Maier, J.P.; Thommen, F.,
Relaxation of dihaloacetylene cations in their A and B states studied by photoelectron-photoion coincidence spectroscopy,
Chem. Phys., 1982, 70, 325. [all data]
Kloster-Jensen, Pascual, et al., 1970
Kloster-Jensen, E.; Pascual, C.; Vogt, J.,
Mass spectrometric studies of mono- and di-haloacetylenes,,
Helv. Chim. Acta, 1970, 53, 2109. [all data]
Heilbronner, Hornung, et al., 1970
Heilbronner, E.; Hornung, V.; Kloster-Jensen, E.,
Die Photoelektron-Spektren der Dihalogen-acetylene,
Helv. Chim. Acta, 1970, 53, 331. [all data]
Shimanouchi, 1972
Shimanouchi, T.,
Tables of Molecular Vibrational Frequencies Consolidated Volume II,
J. Phys. Chem. Ref. Data, 1972, 6, 3, 993-1102. [all data]
Notes
Go To: Top, Gas phase ion energetics data, Vibrational and/or electronic energy levels, References
- Symbols used in this document:
AE Appearance energy - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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